Related papers: Calculations of the Exciton Coupling Elements Betw…
Using high-resolution extreme ultraviolet resonant inelastic X-ray scattering (EUVRIXS) spectroscopy at Cu M-edge, we observed the doping dependent spectral shifts of inter-orbital (dd) excitations of YBa_2Cu_3O_(7-x) and La_(2-x)Sr_xCuO_4.…
Very high energy resolution photoemission experiments on high quality samples of optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ show new features in the low-energy electronic excitations. A marked change in the binding energy and…
We present a dedicated analysis of the influence of excited states on the calculation of nucleon matrix elements. This calculation is performed at a fixed value of the lattice spacing, volume and pion mass that are typical of contemporary…
Using a variational approach, the binding energies $E_b$ of the lowest bound excitons in Xenes under varying electric field are investigated. The internal exciton motion is described both by Dirac electron dispersion and in effective-mass…
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory [B. Jeziorski and R. Moszynski, Int. J. Quant. Chem. 48,…
In this work, we derive working equations for the Linear Response pair Coupled Cluster Doubles (LR-pCCD) ansatz and its extension to singles (S), LR-pCCD+S. These methods allow us to compute electronic excitation energies and transition…
Excitonic insulators (EI) arise from the formation of bound electron-hole pairs (excitons) in semiconductors and provide a solid-state platform for quantum many-boson physics. Strong exciton-exciton repulsion is expected to stabilize…
The computation of excited electronic states with commonly employed (approximate) methods is challenging, typically yielding states of lower quality than the corresponding ground state for a higher computational cost. In this work, we…
The region surrounding the excitonic insulator phase is a three-component plasma composed of electrons, holes, and excitons. Due to the extended nature of the excitons, their presence influences the surrounding electrons and holes. We…
An interesting physical process has been unveiled: dynamical core excitation during a breakup reaction of loosely bound $core+N$ systems. These reactions are typically used to extract spectroscopic information and/or astrophysical…
A detailed description of the conformational plasticity of double stranded DNA (ds) is a necessary framework for understanding protein-DNA interactions. Until now, however structure and kinetics of the transition from the basic conformation…
Time-dependent density functional theory (TDDFT) has been applied to the calculation of absorption spectra for two-dimensional atomic layer materials. We reveal that the character of the first bright exciton state of bi-layer hexagonal…
The double electron attachment (DEA) and double ionization potential (DIP) equation-of-motion coupled-cluster (EOMCC) methods including up to 4-particle-2-hole (4$p$-2$h$) and 4-hole-2-particle (4$h$-2$p$) excitations on top of…
We studied the possibility of exciton condensation in Mott insulating bilayers. In these strongly correlated systems an exciton is the bound state of a double occupied and empty site. In the strong coupling limit the exciton acts as a…
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
Recent experiments on trilayer transition-metal dichalcogenide heterostructures have revealed the rich behavior of dipolar excitons. Motivated by these experimental observations, we investigate the collective dynamics of planar quantum…
Twisted multilayer transition metal dichalcogenides (TMDs) are a promising platform for realizing topological exciton phases. Here we propose that twisted TMD heterotrilayers WX$_2$/MX$_2$/WX$_2$ with layer symmetry represents a realistic…
We propose a new method of calculating electronically excited states that combines a density functional theory (DFT) based ground state calculation with a linear response treatment that employs approximations used in the time-dependent…
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and…
The fundamental properties of an exciton are determined by the spin, valley, energy, and spatial wavefunctions of the Coulomb bound electron and hole. In van der Waals materials, these attributes can be widely engineered through layer…